IFLAB-ZINC04941851 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 50 0 0 0 0 0 0 0 0999 V2000 -0.0270 1.4670 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.0510 0.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -0.8510 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -2.0610 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -3.2180 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -3.0090 2.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -1.7670 2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -0.6270 2.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -4.5100 1.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -5.5240 2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -6.9280 1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -6.2600 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -4.8260 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -8.6930 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -9.1370 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -9.4440 -1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -9.8290 -2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -9.8950 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -9.6020 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -9.2290 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 -9.7200 0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 -10.1170 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7770 -10.2380 -2.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -1.8400 -0.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -0.5450 -0.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 1.7020 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 1.9800 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 1.7720 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -1.6850 3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -5.3110 2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -5.5310 3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -7.0110 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -7.6760 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -6.5160 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -6.3730 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -4.6740 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -4.1770 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -9.3150 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -8.8060 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -9.3810 -2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -10.0660 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 -9.0200 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0350 -11.0840 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3510 -9.3720 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -7.2520 0.8150 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8570 -7.1250 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 45 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 24 25 2 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END